3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide

C8H12ClN3O2S — CID 103094092

IUPAC3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C8H12ClN3O2S/c9-7-3-1-5-11-8(7)12-15(13,14)6-2-4-10/h1,3,5H,2,4,6,10H2,(H,11,12)
InChIKeyDKTLKKOCRJJRKD-UHFFFAOYSA-N
MW249.72 g/mol
LogP0.83
Rot. Bonds5

About 3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide

3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide (PubChem CID 103094092) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide
PubChem CID103094092
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C8H12ClN3O2S/c9-7-3-1-5-11-8(7)12-15(13,14)6-2-4-10/h1,3,5H,2,4,6,10H2,(H,11,12)
InChIKeyDKTLKKOCRJJRKD-UHFFFAOYSA-N
XLogP0.83
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide
CID 103094659
N-(3-chloro-2-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106086632
2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide
CID 103093992
3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide
CID 60910481
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
4-amino-N-pyridin-2-ylbutane-1-sulfonamide
CID 61456018
3-chloro-N-(ethylsulfamoyl)pyridin-2-amine
CID 103094532
5-(aminomethyl)-N-(3-chloro-2-pyridinyl)furan-2-sulfonamide
CID 106086601
3-chloro-2-(diethylsulfamoylamino)pyridine
CID 103094534
N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide
CID 66677968
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
N-(3-chloro-2-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 113356222

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide (CID 103094092) is 3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide is NCCCS(=O)(=O)Nc1ncccc1Cl.
What is the InChIKey of 3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide?
The InChIKey is DKTLKKOCRJJRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c9-7-3-1-5-11-8(7)12-15(13,14)6-2-4-10/h1,3,5H,2,4,6,10H2,(H,11,12).
What are the key properties of 3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide?
3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide has a molecular weight of 249.72 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide is sourced from PubChem (CID 103094092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).